[email protected]
CAS 123063-31-0 CYS-SER-ARG-ALA-ARG-LYS-GLN-ALA-ALA-SER- ILE-LYS-VA molecular structure lightbox
CAS RN: 123063-31-0

CYS-SER-ARG-ALA-ARG-LYS-GLN-ALA-ALA-SER- ILE-LYS-VA

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250714 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS123063-31-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

123063-31-0 / (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoic acid

Standard CAS: 123063-31-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
123063-31-0
Multi CAS
No
Molecular Formula
C82H149N31O26S
Molecular Weight
2017.300000
Exact Mass
2016.101075
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)N
InChI
InChI=1S/C82H149N31O26S/c1-12-39(6)60(78(137)105-47(21-14-16-28-84)71(130)112-58(37(2)3)76(135)100-44(11)65(124)111-59(38(4)5)77(136)110-53(33-114)73(132)99-43(10)63(122)107-52(32-57(118)119)72(131)106-51(79(138)139)24-19-31-95-82(91)92)113-75(134)55(35-116)108-64(123)41(8)96-61(120)40(7)97-68(127)50(25-26-56(86)117)104-69(128)46(20-13-15-27-83)102-70(129)49(23-18-30-94-81(89)90)101-62(121)42(9)98-67(126)48(22-17-29-93-80(87)88)103-74(133)54(34-115)109-66(125)45(85)36-140/h37-55,58-60,114-116,140H,12-36,83-85H2,1-11H3,(H2,86,117)(H,96,120)(H,97,127)(H,98,126)(H,99,132)(H,100,135)(H,101,121)(H,102,129)(H,103,133)(H,104,128)(H,105,137)(H,106,131)(H,107,122)(H,108,123)(H,109,125)(H,110,136)(H,111,124)(H,112,130)(H,113,134)(H,118,119)(H,138,139)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-,59-,60-/m0/s1
InChIKey
NAPSKHHWYAWPQX-YJTOHMMESA-N

Computed Properties

Structural Parameters

Heavy atom count
140
Fraction Csp3
0.71
Rotatable bonds
70
H-bond acceptors
31
H-bond donors
37
Molar refractivity
506.92
TPSA
965.94

LogP / Solubility

WLOGP
-13.72
MLOGP
-11.86
XLogP3
-14.8
Consensus LogP
-13.46
Log S (ESOL)
0.92
Class (ESOL)
Highly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-24.77

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us